Receptor
PDB id Resolution Class Description Source Keywords
4J77 1.76 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/HWBP1 COMPLEX HOMO SAPIENS BETA PROPELLER DOMAIN DILYSINE MOTIF ER RETRIEVAL PROTEINTRANSPORT
Ref.: RULES FOR THE RECOGNITION OF DILYSINE RETRIEVAL MOT COATOMER. EMBO J. V. 32 926 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA LYS GLU LYS SER ASP D:0;
C:1;
Valid;
Valid;
none;
none;
submit data
605.646 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J73 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/P25 COMPLEX SACCHAROMYCES CEREVISIAE BETA PROPELLER DILYSINE MOTIF ER RETRIEVAL SIGNAL COATOMERECOGNITION PROTEIN TRANSPORT
Ref.: RULES FOR THE RECOGNITION OF DILYSINE RETRIEVAL MOT COATOMER. EMBO J. V. 32 926 2013
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
11 4J8B - LEU LYS THR LYS LEU LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA LYS GLU LYS SER ASP; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LYS GLU LYS SER ASP 1 1
2 LYS GLU LYS 0.661538 0.833333
3 LYS SER LYS 0.590909 0.952381
4 LYS LYS LYS 0.569231 0.809524
5 ALA ARG LYS LEU ASP 0.536585 0.698113
6 LYS LYS LYS ALA 0.536232 0.790698
7 LYS GLN LYS 0.535211 0.813953
8 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.532609 0.875
9 ACE VAL LYS GLU SER LEU VAL 0.516854 0.869565
10 LYS DAB LYS 0.514706 0.790698
11 LYS ASP LYS 0.514286 0.857143
12 LYS SER HIS GLN GLU 0.5 0.773585
13 LYS NLE LYS 0.5 0.73913
14 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.493506 0.734694
15 TYR GLN SER LYS LEU 0.489362 0.740741
16 LYS NVA LYS 0.486111 0.755556
17 CYS THR GLU LEU LYS LEU SER ASP TYR 0.477477 0.759259
18 LYS LYS 0.476923 0.738095
19 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.476636 0.736842
20 LYS ARG LYS 0.467532 0.714286
21 LEU ALA SER LEU GLU SER GLN SER 0.460674 0.829787
22 LYS MET LYS 0.460526 0.708333
23 LYS ORN LYS 0.460526 0.772727
24 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.457831 0.847826
25 GLU GLN TYR LYS PHE TYR SER VAL 0.457143 0.745455
26 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.456311 0.823529
27 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.452991 0.719298
28 LYS DPP LYS 0.450704 0.813953
29 THR ASN GLU TYR LYS VAL 0.44898 0.666667
30 LYS ASN LYS 0.445946 0.840909
31 LYS LEU LYS 0.445946 0.73913
32 GLU ASN GLN LYS GLU TYR PHE PHE 0.441176 0.698113
33 LYS CYS LYS 0.438356 0.837209
34 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.438202 0.784314
35 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.438095 0.84
36 HIS GLU GLU LEU ALA LYS LEU 0.435294 0.73913
37 PHE LEU GLU LYS 0.434783 0.693878
38 GLU LEU ASP LYS TYR ALA SER 0.433962 0.754717
39 GLU GLN ASP LYS TRP ALA SER 0.433628 0.745455
40 SER LEU LEU LYS LYS LEU LEU ASP 0.430233 0.913043
41 LYS ALA SER VAL GLY 0.430233 0.888889
42 LYS THR LYS LEU LEU 0.430233 0.808511
43 GLU LEU GLU LYS TRP ALA SER 0.427273 0.684211
44 GLU LYS PRO SER SER SER 0.427083 0.777778
45 LYS VAL LYS 0.426667 0.755556
46 SAC ASP 0.426471 0.818182
47 GLU ALA ASP LYS TRP GLN SER 0.421053 0.745455
48 ASP THR GLU MET GLU GLU VAL ASP 0.421053 0.711538
49 LYS ALA LYS 0.418919 0.790698
50 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.418033 0.724138
51 SER ARG MET GLU GLU VAL ASP 0.416667 0.78
52 LYS HPE LYS 0.416667 0.755556
53 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.416 0.666667
54 LYS THR LYS 0.415584 0.863636
55 GLU GLU GLN GLU GLU TYR 0.414634 0.653061
56 GLY LYS ASP SER CYS GLN GLY ASP SER 0.413462 0.891304
57 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.412844 0.773585
58 GLU GLU ILE ASP VAL VAL SER VAL 0.412371 0.829787
59 LYS ARG LYS ARG LYS ARG LYS ARG 0.411765 0.693878
60 THR LYS ASN TYR LYS GLN THR SER VAL 0.410714 0.777778
61 ALA LYS ALA SER GLN ALA ALA 0.406593 0.866667
62 ARG ASP 0.405405 0.693878
63 LYS ASN LEU 0.405063 0.75
64 ARG SER ARG 0.405063 0.795918
65 LYS TYR LYS 0.404762 0.714286
66 SER LEU LYS ILE ASP ASN GLU ASP 0.40367 0.82
67 ASP GLU LEU GLU ILE LYS ALA TYR 0.403509 0.685185
68 GLN LYS 0.402778 0.767442
69 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.4 0.764706
70 GLU LEU ASP LYS TRP ALA SER 0.4 0.701754
71 GLU ASN ASP LYS TRP ALA SER 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
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